[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate

C19H19N3O2S2 — CID 8852774

IUPAC[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
SMILESCc1ccc(-c2nc(COC(=O)CSc3nc(C)cc(C)n3)cs2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-12-4-6-15(7-5-12)18-22-16(10-25-18)9-24-17(23)11-26-19-20-13(2)8-14(3)21-19/h4-8,10H,9,11H2,1-3H3
InChIKeyASRJTQOORYGIFA-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.36
Rot. Bonds6

About [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate (PubChem CID 8852774) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate.

Molecular Properties

Compound Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
PubChem CID8852774
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate
SMILESCc1ccc(-c2nc(COC(=O)CSc3nc(C)cc(C)n3)cs2)cc1
InChIInChI=1S/C19H19N3O2S2/c1-12-4-6-15(7-5-12)18-22-16(10-25-18)9-24-17(23)11-26-19-20-13(2)8-14(3)21-19/h4-8,10H,9,11H2,1-3H3
InChIKeyASRJTQOORYGIFA-UHFFFAOYSA-N
XLogP4.36
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-phenylacetate
CID 55319347
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-acetamidoacetate
CID 75412679
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
CID 34071150
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-acetamidopropanoate
CID 7197599
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30886045
ethyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate;hydrochloride
CID 45125947
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chloro-3-methylphenoxy)acetate
CID 7846114
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735564
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-chlorobenzoate
CID 7860043
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788443
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
CID 7871098

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate?
The IUPAC name of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate (CID 8852774) is [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate.
What is the SMILES notation for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate?
The canonical SMILES for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate is Cc1ccc(-c2nc(COC(=O)CSc3nc(C)cc(C)n3)cs2)cc1.
What is the InChIKey of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate?
The InChIKey is ASRJTQOORYGIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-12-4-6-15(7-5-12)18-22-16(10-25-18)9-24-17(23)11-26-19-20-13(2)8-14(3)21-19/h4-8,10H,9,11H2,1-3H3.
What are the key properties of [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate?
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate has a molecular weight of 385.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate is sourced from PubChem (CID 8852774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).